N-(2,2-difluoro-3-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide

C6H7F6NO2 — CID 104862900

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NCC(F)(F)CO)C(F)(F)C(F)F
InChIInChI=1S/C6H7F6NO2/c7-3(8)6(11,12)4(15)13-1-5(9,10)2-14/h3,14H,1-2H2,(H,13,15)
InChIKeyUIJVBJOCAOWNQI-UHFFFAOYSA-N
MW239.12 g/mol
LogP0.63
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide

N-(2,2-difluoro-3-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 104862900) has the molecular formula C6H7F6NO2 and a molecular weight of 239.12 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID104862900
Molecular FormulaC6H7F6NO2
Molecular Weight239.12 g/mol
Exact Mass239.04
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NCC(F)(F)CO)C(F)(F)C(F)F
InChIInChI=1S/C6H7F6NO2/c7-3(8)6(11,12)4(15)13-1-5(9,10)2-14/h3,14H,1-2H2,(H,13,15)
InChIKeyUIJVBJOCAOWNQI-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-Hydroxypropyl)trifluoroacetamide
CID 1987732
N-(2-Hydroxyethyl)perfluorobutanamide
CID 4613030
Trifluoracetamidopropanol
CID 129757391
N-(1,3-dihydroxypropyl)-2,2,2-trifluoroacetamide
CID 20374862
2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 59089269
2,2,2-trifluoro-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031818
3,3-difluoro-N-(2-hydroxyethyl)propanamide
CID 88626313
N-(1-fluoro-3-hydroxypropyl)propanamide
CID 88784175
N-(2,2-difluoro-3-hydroxypropyl)propanamide
CID 104857086
N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104857135
N-(2-fluoro-3-hydroxypropyl)propanamide
CID 117969498
2,2-difluoro-N-(1-hydroxyethyl)propanamide
CID 139681280

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide (CID 104862900) is N-(2,2-difluoro-3-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide is O=C(NCC(F)(F)CO)C(F)(F)C(F)F.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is UIJVBJOCAOWNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F6NO2/c7-3(8)6(11,12)4(15)13-1-5(9,10)2-14/h3,14H,1-2H2,(H,13,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide?
N-(2,2-difluoro-3-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 239.12 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 104862900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).